SCHEMBL9561674

SCHEMBL9561674

CCOc1c(F)cc(C(=COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.42
FFAR1 O14842 6/20 0.39
FFAR4 Q5NUL3 2/20 0.39
MAPK14 Q16539 1/20 0.37
ALKBH1 Q13686 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LTA4H P09960 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9561670 1.00 CETP (0.42) CETPFFAR1FFAR4MAPK14ALKBH1
SCHEMBL9561470 0.87 LTA4H (0.46) CETPFFAR1FFAR4MAPK14LTA4H
SCHEMBL9561472 0.87 LTA4H (0.46) CETPFFAR1FFAR4MAPK14LTA4H
SCHEMBL9804247 0.83 CETP (0.42) CETPFFAR1FFAR4MAPK14TSHR
SCHEMBL9804245 0.83 CETP (0.42) CETPFFAR1FFAR4MAPK14TSHR
SCHEMBL9560817 0.78 MAPK14 (0.52) CETPFFAR1FFAR4MAPK14LTA4H
SCHEMBL9560811 0.78 MAPK14 (0.52) CETPFFAR1FFAR4MAPK14LTA4H
SCHEMBL9561530 0.74 CETP (0.39) CETPFFAR1FFAR4LTA4HKDM4E
SCHEMBL9561343 0.74 CETP (0.41) CETPFFAR1FFAR4TSHRHSD17B10
SCHEMBL9561537 0.74 CETP (0.39) CETPFFAR1FFAR4LTA4HKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
EP-0276558-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-08 EP disclosed
EP-0276558-A2 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-03 EP disclosed